BDBM50064186 (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one::CHEMBL290814::bafilomycin A1

SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C

InChI Key InChIKey=XDHNQDDQEHDUTM-JQWOJBOSSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50064186   

TargetAdenosine receptor A3(Human)
Universit£T Bonn

Curated by ChEMBL
LigandPNGBDBM50064186((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...)
Affinity DataKi:  1.08E+3nMAssay Description:Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 3(Human)
Universit£T Bonn

Curated by ChEMBL
LigandPNGBDBM50064186((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...)
Affinity DataIC50:  755nMAssay Description:Inhibition of human P2X3 assessed as reduction in agonist-induced intracellular Ca2+ concentration pre-incubated for 30 mins before agonist addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetV-type proton ATPase subunit S1(Human)
Smithkline Beecham

Curated by ChEMBL
LigandPNGBDBM50064186((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...)
Affinity DataIC50:  100nMAssay Description:Compound was tested for inhibititon of V-ATPase from Chicken osteoclasts(cOc)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVacuolar proton pump subunit B(Chicken)
Astrazeneca R & D M£Lndal

Curated by ChEMBL
LigandPNGBDBM50064186((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...)
Affinity DataIC50:  30nMAssay Description:Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary boneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed